(Z)-4-methyl-3-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)pent-2-ene

C9H13F3S — CID 166735861

IUPAC(Z)-4-methyl-3-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)pent-2-ene
SMILESC=C(S/C(=C\C)C(C)C)C(F)(F)F
InChIInChI=1S/C9H13F3S/c1-5-8(6(2)3)13-7(4)9(10,11)12/h5-6H,4H2,1-3H3/b8-5-
InChIKeyQTLNHEMFZVFESM-YVMONPNESA-N
MW210.26 g/mol
LogP4.36
Rot. Bonds3

About (Z)-4-methyl-3-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)pent-2-ene

(Z)-4-methyl-3-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)pent-2-ene (PubChem CID 166735861) has the molecular formula C9H13F3S and a molecular weight of 210.26 g/mol. Its IUPAC name is (Z)-4-methyl-3-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)pent-2-ene.

Molecular Properties

Compound Name(Z)-4-methyl-3-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)pent-2-ene
PubChem CID166735861
Molecular FormulaC9H13F3S
Molecular Weight210.26 g/mol
Exact Mass210.07
IUPAC Name(Z)-4-methyl-3-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)pent-2-ene
SMILESC=C(S/C(=C\C)C(C)C)C(F)(F)F
InChIInChI=1S/C9H13F3S/c1-5-8(6(2)3)13-7(4)9(10,11)12/h5-6H,4H2,1-3H3/b8-5-
InChIKeyQTLNHEMFZVFESM-YVMONPNESA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-3-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)pent-2-ene?
The IUPAC name of (Z)-4-methyl-3-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)pent-2-ene (CID 166735861) is (Z)-4-methyl-3-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)pent-2-ene.
What is the SMILES notation for (Z)-4-methyl-3-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)pent-2-ene?
The canonical SMILES for (Z)-4-methyl-3-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)pent-2-ene is C=C(S/C(=C\C)C(C)C)C(F)(F)F.
What is the InChIKey of (Z)-4-methyl-3-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)pent-2-ene?
The InChIKey is QTLNHEMFZVFESM-YVMONPNESA-N. The full InChI is InChI=1S/C9H13F3S/c1-5-8(6(2)3)13-7(4)9(10,11)12/h5-6H,4H2,1-3H3/b8-5-.
What are the key properties of (Z)-4-methyl-3-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)pent-2-ene?
(Z)-4-methyl-3-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)pent-2-ene has a molecular weight of 210.26 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-3-(3,3,3-trifluoroprop-1-en-2-ylsulfanyl)pent-2-ene is sourced from PubChem (CID 166735861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).